N-[[5-[(E)-3-(3-bromophenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]propanamide

Systemtic Name: N-[[5-[(E)-3-(3-bromophenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]propanamide Openeye Name: N-[[5-[(E)-3-(3-bromophenyl)prop-2-enoyl]-4-methyl-thiazol-2-yl]carbamothioyl]propanamide CAS Name: N-[[[5-[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]-4-methyl-2-thiazolyl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[5-[(E)-3-(3-bromophenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]propanamide Traditional Name: N-[[5-[(E)-3-(3-bromophenyl)acryloyl]-4-methyl-thiazol-2-yl]thiocarbamoyl]propionamide Formula: C17H16BrN3O2S2 MolecularWeight: 438.36184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=NC(=C(S1)C(=O)C=CC2=CC(=CC=C2)Br)C

Isomeric SMILES

CCC(=O)NC(=S)NC1=NC(=C(S1)C(=O)/C=C/C2=CC(=CC=C2)Br)C

InChI

InChI=1S/C17H16BrN3O2S2/c1-3-14(23)20-16(24)21-17-19-10(2)15(25-17)13(22)8-7-11-5-4-6-12(18)9-11/h4-9H,3H2,1-2H3,(H2,19,20,21,23,24)/b8-7+